smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[n+]1c2ccccc2c(Nc2ccc(S(N)(=O)=O)cc2)c2ccccc21	ZINC000169334189	206251450	/nfs/dbraw/zinc/25/14/50/206251450.db2.gz	BLOQQXNJVUXQOE-UHFFFAOYSA-O	1	0	364.450	3.209	1	10		FGCFRO
CC(C)COC(=O)Cc1cc(C[NH+]2CCCC2)c([O-])c(C[NH+]2CCCC2)c1	ZINC000029552012	204903260	/nfs/dbraw/zinc/90/32/60/204903260.db2.gz	YIVIPFSXGBJHLS-UHFFFAOYSA-N	1	0	374.525	3.326	1	10		FGCFRO
CN1C(=O)CC[C@@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC[C@@H]4C(=O)C[N+]#N)[C@@H]3CC[C@@H]12	ZINC000169369896	206252868	/nfs/dbraw/zinc/25/28/68/206252868.db2.gz	VYFIQXXVEPQANM-VZCAXEHESA-N	1	0	357.498	3.336	1	10		FGCFRO
C[NH+](C)CCCOc1c(=O)c2ccccc2oc1-c1ccc(O)c(O)c1	ZINC000027209753	204860303	/nfs/dbraw/zinc/86/03/03/204860303.db2.gz	RNHPMKOUEPUFEP-UHFFFAOYSA-N	1	0	355.390	3.202	1	10		FGCFRO
CCCCC(=O)NC[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2[N@H+](C)C1	ZINC000103297447	209251973	/nfs/dbraw/zinc/25/19/73/209251973.db2.gz	ZFUNQHQJPVTQQO-QKYXUNIQSA-N	1	0	353.510	3.445	1	10		FGCFRO
COc1ccc(OC)c([C@@H](O)[C@H](C)[NH2+]Cc2cc(Cl)ccc2O)c1	ZINC000045191167	208327833	/nfs/dbraw/zinc/32/78/33/208327833.db2.gz	XVLOPOLQURRPGC-VOJFVSQTSA-N	1	0	351.830	3.275	1	10		FGCFRO
CC(C)[NH2+]C[C@H](O)COc1ccc2c(c1)CCCN2Cc1ccccc1	ZINC000040391850	136119840	/nfs/dbraw/zinc/11/98/40/136119840.db2.gz	JUVWASPQEPNQTK-FQEVSTJZSA-N	1	0	354.494	3.377	1	10		FGCFRO
O=CN1CCN(Cc2c3cc(Cc4ccccc4)oc3ccc2O)CC1	ZINC000103262340	209250561	/nfs/dbraw/zinc/25/05/61/209250561.db2.gz	DHCBKVBLDHBKGW-UHFFFAOYSA-N	1	0	350.418	3.003	1	10		FGCFRO
CCCCOC(=O)Cc1cc(C[NH+]2CCCC2)c([O-])c(C[NH+]2CCCC2)c1	ZINC000029559340	207992999	/nfs/dbraw/zinc/99/29/99/207992999.db2.gz	VACNCQAVMQELEA-UHFFFAOYSA-N	1	0	374.525	3.470	1	10		FGCFRO
COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+]Cc2cc(Cl)ccc2O)c1	ZINC000045191176	208327737	/nfs/dbraw/zinc/32/77/37/208327737.db2.gz	XVLOPOLQURRPGC-ADLMAVQZSA-N	1	0	351.830	3.275	1	10		FGCFRO
COc1ccc(OC)c([C@@H](O)[C@@H](C)[NH2+]Cc2cc(Cl)ccc2O)c1	ZINC000045191170	208326446	/nfs/dbraw/zinc/32/64/46/208326446.db2.gz	XVLOPOLQURRPGC-ZMZPIMSZSA-N	1	0	351.830	3.275	1	10		FGCFRO
COc1cc(CC[NH2+]Cc2ccc(N)cc2)c(OC)cc1Br	ZINC000013737385	211055664	/nfs/dbraw/zinc/05/56/64/211055664.db2.gz	APPULWQRPHJFSV-UHFFFAOYSA-N	1	0	365.271	3.381	1	10		FGCFRO
CC[NH+](CC)CCc1c2ccccc2nc2c1C(=O)c1ncccc1C2=O	ZINC000001649604	210363558	/nfs/dbraw/zinc/36/35/58/210363558.db2.gz	OPVSYLBSDGXWKB-UHFFFAOYSA-N	1	0	359.429	3.290	1	10		FGCFRO
COc1ccc2c(c1)cc(C(=O)NCC[NH+](C)C)c1nc3ccccc3nc21	ZINC000013586913	211040504	/nfs/dbraw/zinc/04/05/04/211040504.db2.gz	XOEHUIAXGBJGRO-UHFFFAOYSA-N	1	0	374.444	3.236	1	10		FGCFRO
CC(C)[NH2+]C[C@@H](O)COc1ccc2c(c1)CCCN2Cc1ccccc1	ZINC000040391853	136119843	/nfs/dbraw/zinc/11/98/43/136119843.db2.gz	JUVWASPQEPNQTK-HXUWFJFHSA-N	1	0	354.494	3.377	1	10		FGCFRO
COc1ccc(N2CC[NH+](CC[C@@H]3c4ccccc4C(=O)N3C)CC2)cc1	ZINC000029243705	536698932	/nfs/dbraw/zinc/69/89/32/536698932.db2.gz	JSGIEHICMIFPBV-OAQYLSRUSA-N	1	0	365.477	3.034	1	10		FGCFRO
NC(=O)C1CC[NH+](Cc2c3cc(Cc4ccccc4)oc3ccc2O)CC1	ZINC000103262348	222329495	/nfs/dbraw/zinc/32/94/95/222329495.db2.gz	TUGRBQOPMQPTAJ-UHFFFAOYSA-N	1	0	364.445	3.427	1	10		FGCFRO
C[N+](C)(C)CCCOc1ccc2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1	ZINC000027210599	717114534	/nfs/dbraw/zinc/11/45/34/717114534.db2.gz	ZXLYSHWEEPTJSI-UHFFFAOYSA-O	1	0	370.425	3.346	1	10		FGCFRO
O=C(N[C@@H]1CCCC[N@@H+](Cc2ccccc2O)C1)c1cc(F)cc(F)c1	ZINC000045301802	205120325	/nfs/dbraw/zinc/12/03/25/205120325.db2.gz	AREBTOFTCGAULE-GOSISDBHSA-N	1	0	360.404	3.455	1	10		FGCFRO
CCN1C(=O)/C(=C/c2ccc(OCCC[NH+](C)C)cc2)SC1=S	ZINC000084653098	205658017	/nfs/dbraw/zinc/65/80/17/205658017.db2.gz	IJWHNRNMKOWVPY-QINSGFPZSA-N	1	0	350.509	3.238	1	10		FGCFRO
O=C(N[C@H]1CCCC[N@@H+](Cc2ccccc2O)C1)c1cc(F)cc(F)c1	ZINC000045301800	205120646	/nfs/dbraw/zinc/12/06/46/205120646.db2.gz	AREBTOFTCGAULE-SFHVURJKSA-N	1	0	360.404	3.455	1	10		FGCFRO
Cn1cc2c3c1cccc3[C@H]1C[C@@H](CNC(=O)C3CCCC3)C[N@H+](C)[C@@H]1C2	ZINC000103297465	209251847	/nfs/dbraw/zinc/25/18/47/209251847.db2.gz	CJMOFABIRFQLED-NYSBEXSLSA-N	1	0	365.521	3.445	1	10		FGCFRO
CC(C)(C)c1cc(C=C2SC(NC(N)=[NH2+])=NC2=O)cc(C(C)(C)C)c1O	ZINC000013734178	581095077	/nfs/dbraw/zinc/09/50/77/581095077.db2.gz	HFGVQPHQMVEBSM-LCYFTJDESA-N	1	0	374.510	3.441	1	10		FGCFRO
C[N+](C)(C)CCCOc1c(=O)c2ccccc2oc1-c1ccc(O)c(O)c1	ZINC000027200339	717114557	/nfs/dbraw/zinc/11/45/57/717114557.db2.gz	KBTKFQDPQFKMCF-UHFFFAOYSA-O	1	0	370.425	3.346	1	10		FGCFRO
C[N+](C)(C)CCOc1ccc2c(c1)oc1c2C(=O)c2ccccc2C1=O	ZINC000034094820	208102997	/nfs/dbraw/zinc/10/29/97/208102997.db2.gz	JPTVXMVUBZXIEM-UHFFFAOYSA-N	1	0	350.394	3.293	1	10		FGCFRO
C/C1=C/CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)[C@@H](C[NH2+]Cc3ccc(N)cc3)[C@@H]2CC1	ZINC000040933068	208274211	/nfs/dbraw/zinc/27/42/11/208274211.db2.gz	FLEBOCJBEJXTTK-LQMUIWBZSA-N	1	0	370.493	3.194	1	10		FGCFRO
COc1ccc(C[C@@H]2c3c(O)c(OC)c(OC)cc3CC[N+]2(C)C)cc1	ZINC000014594270	717110606	/nfs/dbraw/zinc/11/06/06/717110606.db2.gz	DMMIFHMAGNNPAL-QGZVFWFLSA-O	1	0	358.458	3.334	1	10		FGCFRO
C[N+]1(C)CCc2cc3c(cc2C(=O)CCc2cc4c(cc21)OCO4)OCO3	ZINC000238733209	717162372	/nfs/dbraw/zinc/16/23/72/717162372.db2.gz	RTBVENHKKVUFTR-UHFFFAOYSA-N	1	0	368.409	3.083	1	10		FGCFRO
CN1C(=O)CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC[C@@H]4C(=O)C[N+]#N)[C@@H]3CC[C@@H]12	ZINC000169369897	222568012	/nfs/dbraw/zinc/56/80/12/222568012.db2.gz	VYFIQXXVEPQANM-VMAJUSJQSA-N	1	0	357.498	3.336	1	10		FGCFRO
[NH3+]C[C@@H]1O[C@H](c2ccc(Br)cc2)Cc2c(O)c(O)ccc21	ZINC000013823797	220096925	/nfs/dbraw/zinc/09/69/25/220096925.db2.gz	LDLAWZLGWDENOK-GJZGRUSLSA-N	1	0	350.212	3.174	1	10		FGCFRO
COc1cccc([C@H]2[NH2+][C@H](c3cccc(OC)c3O)[C@@H](C)C(=O)[C@@H]2C)c1O	ZINC000013142245	220059890	/nfs/dbraw/zinc/05/98/90/220059890.db2.gz	LWFFAIDGWKLELR-VVDPLQPHSA-N	1	0	371.433	3.342	1	10		FGCFRO